Chemical ID: 4475937

c1cc(ccc1CC#N)NC(=O)C2CCCCC2
Chemical ID:
4475937
Name [?]:
N-[4-(cyanomethyl)phenyl]cyclohexanecarboxamide
SMILES [?]:
c1cc(ccc1CC#N)NC(=O)C2CCCCC2
InChi [?]:
InChI=1/C15H18N2O/c16-11-10-12-6-8-14(9-7-12)17-15(18)13-4-2-1-3-5-13/h6-9,13H,1-5,10H2,(H,17,18)
InChi Info:
AuxInfo=1/1/N:16,15,17,14,18,1,5,2,4,7,8,6,13,3,11,9,10,12/E:(2,3)(4,5)(6,7)(8,9)/rA:18nCCCCCCCCNNCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s6;s7;t8;s3;s10;d11;s11;s13;s14;s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H18N2O
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.65678
Area:451.356
Solvation:-2.62712
Coulombic:-23.4515
Bond Count [?]
All:19
Single:14
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:242.316
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.73
LogP (Chemaxon):3.22

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